(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide

C8H15FN2O — CID 129321630

IUPAC(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C8H15FN2O/c1-2-3-10-8(12)7-4-6(9)5-11-7/h6-7,11H,2-5H2,1H3,(H,10,12)/t6-,7+/m1/s1
InChIKeyJOKPQIYCKJFXEK-RQJHMYQMSA-N
MW174.22 g/mol
LogP0.21
Rot. Bonds3

About (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide (PubChem CID 129321630) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
PubChem CID129321630
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C8H15FN2O/c1-2-3-10-8(12)7-4-6(9)5-11-7/h6-7,11H,2-5H2,1H3,(H,10,12)/t6-,7+/m1/s1
InChIKeyJOKPQIYCKJFXEK-RQJHMYQMSA-N
XLogP0.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide (CID 129321630) is (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide?
The InChIKey is JOKPQIYCKJFXEK-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-2-3-10-8(12)7-4-6(9)5-11-7/h6-7,11H,2-5H2,1H3,(H,10,12)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide has a molecular weight of 174.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 129321630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).